N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide

C25H26ClN3O2 — CID 42499051

IUPACN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31)
InChIKeyUGQBYCRREHZIMC-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.34
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 42499051) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID42499051
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31)
InChIKeyUGQBYCRREHZIMC-UHFFFAOYSA-N
XLogP4.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide (CID 42499051) is N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(CN2CCC(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is UGQBYCRREHZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c26-23-9-5-4-8-20(23)16-27-24(30)22-11-10-21(28-25(22)31)17-29-14-12-19(13-15-29)18-6-2-1-3-7-18/h1-11,19H,12-17H2,(H,27,30)(H,28,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42499051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).